SCHEMBL62618

SCHEMBL62618

CCC[n+]1c(/C=C/c2ccc(N(CC)CC)c3nonc23)sc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INSR P06213 15/20 0.52
MAPT P10636 2/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MMP14 P50281 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL60940 0.93 INSR (0.49) INSRMAPTAPPALDH1A1GAA
SCHEMBL62493 0.93 INSR (0.49) INSRMAPTAPPALDH1A1GAA
SCHEMBL13218912 0.87 INSR (0.44) INSRMAPTAPPALDH1A1GAA
SCHEMBL13232760 0.85 INSR (0.43) INSRMAPTAPPALDH1A1MEN1
SCHEMBL61426 0.85 INSR (0.43) INSRMAPTAPPALDH1A1GAA
SCHEMBL61009 0.84 INSR (0.42) INSRMAPTAPPALDH1A1GAA
SCHEMBL61558 0.84 INSR (0.42) INSRMAPTAPPALDH1A1MEN1
SCHEMBL61398 0.84 INSR (0.42) INSRMAPTAPPALDH1A1LMNA
SCHEMBL62438 0.84 INSR (0.42) INSRMAPTAPPALDH1A1MEN1
SCHEMBL62459 0.78 INSR (0.47) INSRMAPTAPPALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129525-B2 Long wavelength thiol-reactive fluorophores BECTON DICKINSON AND COMPANY (US) 2012-03-06 US disclosed
US-8071794-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON AND COMPANY (US) 2011-12-06 US disclosed
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2011-07-28 US disclosed
US-7767821-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2010-08-03 US disclosed
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-07-01 US disclosed
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES BECTON, DICKINSON AND COMPANY (US) 2010-01-07 US disclosed
US-7563891-B2 Long wavelength thiol-reactive fluorophores BECTON, DICKINSON & COMPANY (US) 2009-07-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100167417-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885MAPT 2743/4885APP 4640/4885
US-20100003763-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885MAPT 2743/4885APP 4640/4885
US-20110184168-A1 LONG WAVELENGTH THIOL-REACTIVE FLUOROPHORES NUCB2, NDC1, NCBP1 INSR 4540/4885MAPT 2743/4885APP 4640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.